Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-1.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
A
A
A
A
 A
A
 A
A
 A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

(Help)

Intraclash 0.265 ΔGbinding -1.937
TOTAL
 -1.672
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.925
Van der Waals -4.255 Backbone clash 0.121
Electrostatics -0.170 Helix dipole 0.000
Solvation Polar 4.537 Water bridges 0.000
Solvation Hyd -6.015 Disulfide 0.000
VdW clashes 3.010 Electrost. Kon -0.230
Entropy sc 0.840 Part.cov.bonds 0.000
Entropy mc

1.969

 ΔGstability

3.759
       

Predicted ligand sequences for model [MYO3_1RUW-1.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  MYO3_1RUW-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRSRDHMDRM 0.0
2 RRLRDHMDRM 0.02
3 RRRRDHMDRM 0.03
4 RRSRRHMDRM 0.05
5 RRSRDRMDRM 0.07
6 RRLRRHMDRM 0.07
7 RRSRMHMDRM 0.07
8 RRRRRHMDRM 0.08
9 RRLRDRMDRM 0.09
10 RRLRMHMDRM 0.09
11 RRRRMHMDRM 0.1
12 RRRRDRMDRM 0.1
13 RRSRDHMDRK 0.1
14 RRLRDHMDRK 0.11
15 RRRRDHMDRK 0.12
16 RRSRRRMDRM 0.13
17 RRSRMRMDRM 0.14
18 RRSRRHMDRK 0.15
19 RRLRRRMDRM 0.15
20 RRLRMRMDRM 0.16
21 RRRRRRMDRM 0.16
22 RRSRDHMRRM 0.16
23 RRRRMRMDRM 0.17
24 RRSRDRMDRK 0.17
25 RRLRRHMDRK 0.17
26 RRSRMHMDRK 0.17
27 RRLRDHMRRM 0.18
28 RRRRRHMDRK 0.18
29 RRLRMHMDRK 0.18
30 RRRRMHMDRK 0.19
31 RRRRDHMRRM 0.19
32 RRLRDRMDRK 0.19
33 RRRRDRMDRK 0.2
34 RRSRDFMDRM 0.21
35 RRSRRHMRRM 0.22
36 RRSRRRMDRK 0.23
37 RRLRDFMDRM 0.23
38 RRSRMHMRRM 0.23
39 RRLRRHMRRM 0.23
40 RRRRDFMDRM 0.24
41 RRSRDRMRRM 0.24
42 RRSRMRMDRK 0.24
43 RRLRRRMDRK 0.24
44 RRRRRHMRRM 0.24
45 RRLRMHMRRM 0.25
46 RRRRRRMDRK 0.25
47 RRLRDRMRRM 0.26
48 RRRRMHMRRM 0.26
49 RRLRMRMDRK 0.26
50 RRSRDHMRRK 0.26
51 RRSRRFMDRM 0.27
52 RRRRMRMDRK 0.27
53 RRRRDRMRRM 0.27
54 RRLRRFMDRM 0.28
55 RRLRDHMRRK 0.28
56 RRSRMFMDRM 0.28
57 RRSRRRMRRM 0.29
58 RRRRDHMRRK 0.29
59 RRSRDHMKRM 0.29
60 RRRRRFMDRM 0.29
61 RRLRMFMDRM 0.3
62 RRSRMRMRRM 0.31
63 RRLRRRMRRM 0.31
64 RRRRMFMDRM 0.31
65 RRSRDFMDRK 0.31
66 RRLRDHMKRM 0.31
67 RRLRMRMRRM 0.32
68 RRSRRHMRRK 0.32
69 RRRRDHMKRM 0.32
70 RRRRRRMRRM 0.32
71 RRLRDFMDRK 0.33
72 RRSRMHMRRK 0.33
73 RRRRMRMRRM 0.33
74 RRLRRHMRRK 0.33
75 RRRRDFMDRK 0.34
76 RRSRDRMRRK 0.34
77 RRSRRHMKRM 0.34
78 RRRRRHMRRK 0.34
79 RRLRMHMRRK 0.35
80 RRLRDRMRRK 0.35
81 RRSRMHMKRM 0.36
82 RRRRMHMRRK 0.36
83 RRSRDRMKRM 0.36
84 RRRRDRMRRK 0.36
85 RRLRRHMKRM 0.36
86 RRRRRHMKRM 0.37
87 RRSRRFMDRK 0.37
88 RRLRRFMDRK 0.38
89 RRSRMFMDRK 0.38
90 RRSRDFMRRM 0.38
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRRRDHMDRK

1.68

-12.0

-10.32
2 RRRRDRMDRM

2.11

-11.89

-9.78
3 RRLRRHMDRK

1.92

-11.09

-9.17
4 RRLRDHMDRM

1.77

-10.85

-9.08
5 RRLRDRMDRM

1.66

-10.59

-8.93
6 RRSRMRMDRM

1.93

-10.84

-8.91
7 RRRRDHMDRM

1.47

-10.37

-8.9
8 RRLRDHMDRK

1.8

-10.49

-8.69
9 RRSRDHMDRK

1.8

-10.41

-8.61
10 RRLRMHMDRM

2.49

-11.01

-8.52
11 RRSRDRMDRK

1.93

-10.44

-8.51
12 RRRRMHMDRM

1.76

-10.24

-8.48
13 RRLRRRMDRM

2.68

-10.87

-8.19
14 RRSRDHMRRM

2.01

-10.08

-8.07
15 RRSRMHMDRK

2.05

-10.06

-8.01
16 RRSRDRMDRM

1.78

-9.75

-7.97
17 RRRRRRMDRM

1.74

-9.63

-7.89
18 RRRRMRMDRM

1.98

-9.82

-7.84
19 RRLRMHMDRK

1.93

-9.47

-7.54
20 RRLRMRMDRM

2.19

-9.66

-7.47
21 RRSRMHMDRM

1.29

-8.7

-7.41
22 RRSRRRMDRM

2.61

-9.95

-7.34
23 RRLRRHMDRM

1.74

-9.05

-7.31
24 RRRRRHMDRK

1.73

-9.04

-7.31
25 RRLRDHMRRM

2.53

-9.79

-7.26
26 RRSRDHMDRM

2.2

-8.93

-6.73
27 RRRRMHMDRK

1.73

-8.07

-6.34
28 RRSRRHMDRK

2.15

-8.47

-6.32
29 RRRRRHMDRM

1.98

-8.27

-6.29
30 RRSRRHMDRM

1.6

-7.3

-5.7

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER